CID 3031768

78156-00-0

Structural Information

Molecular Formula
C15H18F3N3O
SMILES
CC1=NC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CCCN(C)C
InChI
InChI=1S/C15H18F3N3O/c1-10-14(22)21(8-4-7-20(2)3)13-6-5-11(15(16,17)18)9-12(13)19-10/h5-6,9H,4,7-8H2,1-3H3
InChIKey
VYWVDPPCGFGBMW-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3-methyl-6-(trifluoromethyl)quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1402 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14748 172.0
[M+Na]+ 336.12942 182.1
[M-H]- 312.13292 171.7
[M+NH4]+ 331.17402 186.1
[M+K]+ 352.10336 177.8
[M+H-H2O]+ 296.13746 161.0
[M+HCOO]- 358.13840 188.7
[M+CH3COO]- 372.15405 214.2
[M+Na-2H]- 334.11487 175.8
[M]+ 313.13965 172.5
[M]- 313.14075 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.